3cgo

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[[Image:3cgo.jpg|left|200px]]
 
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==IRAK-4 Inhibitors (Part II)- A structure based assessment of imidazo[1,2 a]pyridine binding==
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The line below this paragraph, containing "STRUCTURE_3cgo", creates the "Structure Box" on the page.
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<StructureSection load='3cgo' size='340' side='right'caption='[[3cgo]], [[Resolution|resolution]] 3.00&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3cgo]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CGO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3CGO FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 3&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JNO:2-{4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PIPERIDIN-1-YL}-N-METHYLACETAMIDE'>JNO</scene></td></tr>
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{{STRUCTURE_3cgo| PDB=3cgo | SCENE= }}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3cgo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3cgo OCA], [https://pdbe.org/3cgo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3cgo RCSB], [https://www.ebi.ac.uk/pdbsum/3cgo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3cgo ProSAT]</span></td></tr>
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</table>
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== Disease ==
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[https://www.uniprot.org/uniprot/MK10_HUMAN MK10_HUMAN] Defects in MAPK10 are a cause of epileptic encephalopathy Lennox-Gastaut type (EELG) [MIM:[https://omim.org/entry/606369 606369]. Epileptic encephalopathies of the Lennox-Gastaut group are childhood epileptic disorders characterized by severe psychomotor delay and seizures. Note=A chromosomal aberration involving MAPK10 has been found in a single patient. Translocation t(Y;4)(q11.2;q21) which causes MAPK10 truncation.
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== Function ==
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[https://www.uniprot.org/uniprot/MK10_HUMAN MK10_HUMAN] Serine/threonine-protein kinase involved in various processes such as neuronal proliferation, differentiation, migration and programmed cell death. Extracellular stimuli such as proinflammatory cytokines or physical stress stimulate the stress-activated protein kinase/c-Jun N-terminal kinase (SAP/JNK) signaling pathway. In this cascade, two dual specificity kinases MAP2K4/MKK4 and MAP2K7/MKK7 phosphorylate and activate MAPK10/JNK3. In turn, MAPK10/JNK3 phosphorylates a number of transcription factors, primarily components of AP-1 such as JUN and ATF2 and thus regulates AP-1 transcriptional activity. Plays regulatory roles in the signaling pathways during neuronal apoptosis. Phosphorylates the neuronal microtubule regulator STMN2. Acts in the regulation of the beta-amyloid precursor protein/APP signaling during neuronal differentiation by phosphorylating APP. Participates also in neurite growth in spiral ganglion neurons.<ref>PMID:11718727</ref>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/cg/3cgo_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3cgo ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A potent IRAK-4 inhibitor was identified through routine project cross screening. The binding mode was inferred using a combination of in silico docking into an IRAK-4 homology model, surrogate crystal structure analysis and chemical analogue SAR.
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'''IRAK-4 Inhibitors (Part II)- A structure based assessment of imidazo[1,2 a]pyridine binding'''
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IRAK-4 inhibitors. Part II: a structure-based assessment of imidazo[1,2-a]pyridine binding.,Buckley GM, Ceska TA, Fraser JL, Gowers L, Groom CR, Higueruelo AP, Jenkins K, Mack SR, Morgan T, Parry DM, Pitt WR, Rausch O, Richard MD, Sabin V Bioorg Med Chem Lett. 2008 Jun 1;18(11):3291-5. Epub 2008 Apr 22. PMID:18482836<ref>PMID:18482836</ref>
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==Overview==
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A potent IRAK-4 inhibitor was identified through routine project cross screening. The binding mode was inferred using a combination of in silico docking into an IRAK-4 homology model, surrogate crystal structure analysis and chemical analogue SAR.
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==About this Structure==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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3CGO is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CGO OCA].
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</div>
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<div class="pdbe-citations 3cgo" style="background-color:#fffaf0;"></div>
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==Reference==
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==See Also==
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IRAK-4 inhibitors. Part II: A structure-based assessment of imidazo[1,2-a]pyridine binding., Buckley GM, Ceska TA, Fraser JL, Gowers L, Groom CR, Higueruelo AP, Jenkins K, Mack SR, Morgan T, Parry DM, Pitt WR, Rausch O, Richard MD, Sabin V, Bioorg Med Chem Lett. 2008 Jun 1;18(11):3291-5. Epub 2008 Apr 22. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18482836 18482836]
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*[[Mitogen-activated protein kinase 3D structures|Mitogen-activated protein kinase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Mitogen-activated protein kinase]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Beevers R]]
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[[Category: Beevers, R.]]
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[[Category: Ceska TA]]
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[[Category: Ceska, T A.]]
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[[Category: Dickson KM]]
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[[Category: Dickson, K M.]]
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[[Category: Fortunato M]]
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[[Category: Fortunato, M.]]
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[[Category: Platt A]]
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[[Category: Platt, A.]]
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[[Category: Alternative splicing]]
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[[Category: Atp-binding]]
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[[Category: Chromosomal rearrangement]]
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[[Category: Cytoplasm]]
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[[Category: Epilepsy]]
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[[Category: Inhibitor]]
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[[Category: Jnk3 kinase]]
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[[Category: Nucleotide-binding]]
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[[Category: Phosphoprotein]]
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[[Category: Serine/threonine-protein kinase]]
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[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 4 09:55:15 2008''
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Current revision

IRAK-4 Inhibitors (Part II)- A structure based assessment of imidazo[1,2 a]pyridine binding

PDB ID 3cgo

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